2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene

C8H6F8OS — CID 91263192

IUPAC2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene
SMILESO=S(C=C(F)CC(F)(F)F)C=C(F)CC(F)(F)F
InChIInChI=1S/C8H6F8OS/c9-5(1-7(11,12)13)3-18(17)4-6(10)2-8(14,15)16/h3-4H,1-2H2
InChIKeyBMGJCUFLIILERV-UHFFFAOYSA-N
MW302.19 g/mol
LogP4.26
Rot. Bonds4

About 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene

2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene (PubChem CID 91263192) has the molecular formula C8H6F8OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene.

Molecular Properties

Compound Name2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene
PubChem CID91263192
Molecular FormulaC8H6F8OS
Molecular Weight302.19 g/mol
Exact Mass302.00
IUPAC Name2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene
SMILESO=S(C=C(F)CC(F)(F)F)C=C(F)CC(F)(F)F
InChIInChI=1S/C8H6F8OS/c9-5(1-7(11,12)13)3-18(17)4-6(10)2-8(14,15)16/h3-4H,1-2H2
InChIKeyBMGJCUFLIILERV-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene?
The IUPAC name of 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene (CID 91263192) is 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene.
What is the SMILES notation for 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene?
The canonical SMILES for 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene is O=S(C=C(F)CC(F)(F)F)C=C(F)CC(F)(F)F.
What is the InChIKey of 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene?
The InChIKey is BMGJCUFLIILERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8OS/c9-5(1-7(11,12)13)3-18(17)4-6(10)2-8(14,15)16/h3-4H,1-2H2.
What are the key properties of 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene?
2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene has a molecular weight of 302.19 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,4-tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene is sourced from PubChem (CID 91263192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).